N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

C24H24N4O3 — CID 55633764

IUPACN-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C24H24N4O3/c1-16(2)14-26-24(31)20-10-3-4-11-21(20)28-22(29)17-7-5-9-19(13-17)27-23(30)18-8-6-12-25-15-18/h3-13,15-16H,14H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyZDMLWTDDJPRKSB-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.97
Rot. Bonds7

About N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55633764) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55633764
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C24H24N4O3/c1-16(2)14-26-24(31)20-10-3-4-11-21(20)28-22(29)17-7-5-9-19(13-17)27-23(30)18-8-6-12-25-15-18/h3-13,15-16H,14H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyZDMLWTDDJPRKSB-UHFFFAOYSA-N
XLogP3.97
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide
CID 86942317
N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
CID 131898619
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
N-[3-(1H-indazol-7-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46411479
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102240
2-[(3-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 100745717
N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 60537365
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 55633764) is N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZDMLWTDDJPRKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16(2)14-26-24(31)20-10-3-4-11-21(20)28-22(29)17-7-5-9-19(13-17)27-23(30)18-8-6-12-25-15-18/h3-13,15-16H,14H2,1-2H3,(H,26,31)(H,27,30)(H,28,29).
What are the key properties of N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55633764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).